N-[3-(azepan-1-ium-1-yl)propyl]-4-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-ylidene]methyl]benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-ylidene]methyl]benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-2-ylidene]methyl]benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[3-keto-4-(4-methylbenzyl)-1,4-benzoxazin-2-ylidene]methyl]benzamide Formula: C33H38N3O3+ MolecularWeight: 524.67312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+]5CCCCCC5)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+]5CCCCCC5)C2=O

InChI

InChI=1S/C33H37N3O3/c1-25-11-13-27(14-12-25)24-36-29-9-4-5-10-30(29)39-31(33(36)38)23-26-15-17-28(18-16-26)32(37)34-19-8-22-35-20-6-2-3-7-21-35/h4-5,9-18,23H,2-3,6-8,19-22,24H2,1H3,(H,34,37)/p+1